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Compile Data Set for Download or QSAR

Found 4 hits of kd data for polymerid = 5286   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50156669
PNG
(4,5,6,7-TETRABROMO-BENZIMIDAZOLE | 4,5,6,7-tetrabr...)
Show SMILES Brc1c(Br)c(Br)c2[nH]cnc2c1Br
Show InChI InChI=1S/C7H2Br4N2/c8-2-3(9)5(11)7-6(4(2)10)12-1-13-7/h1H,(H,12,13)
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Article
PubMed
n/an/an/a 18.1n/an/an/an/an/a



University of Western Ontario



Assay Description
To assess direct binding of inhibitors to oxidized NQO2 (NQO2ox), fluorescence quenching of FAD was monitored with an excitation wavelength of 350 nm...


Biochemistry 54: 47-59 (2015)


Article DOI: 10.1021/bi500959t
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50156670
PNG
(2-(dimethylamino)-4,5,6,7-tetrabromo-1H-benzimidaz...)
Show SMILES CN(C)c1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1
Show InChI InChI=1S/C9H7Br4N3/c1-16(2)9-14-7-5(12)3(10)4(11)6(13)8(7)15-9/h1-2H3,(H,14,15)
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Article
PubMed
n/an/an/a 36.4n/an/an/an/an/a



University of Western Ontario



Assay Description
To assess direct binding of inhibitors to oxidized NQO2 (NQO2ox), fluorescence quenching of FAD was monitored with an excitation wavelength of 350 nm...


Biochemistry 54: 47-59 (2015)


Article DOI: 10.1021/bi500959t
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM23926
PNG
((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...)
Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
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Article
PubMed
n/an/an/a 54n/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding affinity to human quinone reductase 2 by ITC analysis


Bioorg Med Chem 21: 6022-37 (2013)


Article DOI: 10.1016/j.bmc.2013.07.037
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM11323
PNG
(4,5,6,7-tetrabromo-1H-1,2,3-benzotriazole | 4,5,6,...)
Show SMILES Brc1c(Br)c(Br)c2[nH]nnc2c1Br
Show InChI InChI=1S/C6HBr4N3/c7-1-2(8)4(10)6-5(3(1)9)11-13-12-6/h(H,11,12,13)
PDB
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KEGG

UniProtKB/SwissProt

B.MOAD
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CHEMBL
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PC cid
PC sid
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Article
PubMed
n/an/an/a 7.11E+3n/an/an/an/an/a



University of Western Ontario



Assay Description
To assess direct binding of inhibitors to oxidized NQO2 (NQO2ox), fluorescence quenching of FAD was monitored with an excitation wavelength of 350 nm...


Biochemistry 54: 47-59 (2015)


Article DOI: 10.1021/bi500959t
More data for this
Ligand-Target Pair